Epipolasin A
AlkaPlorer ID: AK023896
Synonym: '', '97950-05-5', '83631-19-0', '(1aR,3aS,7S,7aS,7bR)-Decahydro-7-isothiocyanato-1,1,3a,7-tetramethyl-1H-cyclopropaanaphthalene', '(-)-Epipolasin A'
IUPAC Name: (1aS,3aR,7R,7aR,7bS)-7-isothiocyanato-1,1,3a,7-tetramethyl-1a,2,3,4,5,6,7a,7b-octahydrocyclopropa[a]naphthalene
Structure
SMILES: CC1(C)[C@@H]2[C@@H]3[C@](C)(CCC[C@@]3(C)N=C=S)CC[C@@H]21
InChI: InChI=1S/C16H25NS/c1-14(2)11-6-9-15(3)7-5-8-16(4,17-10-18)13(15)12(11)14/h11-13H,5-9H2,1-4H3/t11-,12-,13+,15+,16+/m0/s1
InChIKey: IHXNLQLOLAMIBI-QZPUYBJASA-N
Reference
Isothiocyanate Sesquiterpenes from a Sponge of the Genus<i>Axinyssa</i>
PubChem CID: 14193624
LOTUS: LTS0147394
SuperNatural Ⅲ: SN0146125-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella pulcherrima | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 263.44999999999993
TPSA？: 12.36
MolLogP？: 4.720300000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|